2phb
From Proteopedia
(New page: 200px {{Structure |PDB= 2phb |SIZE=350|CAPTION= <scene name='initialview01'>2phb</scene>, resolution 2.30Å |SITE= <scene name='pdbsite=AC1:Ca+Binding+Site+F...) |
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|GENE= F10 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= F10 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
|DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=cd00190 Tryp_SPc], [http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=cd01475 vWA_Matrilin]</span> | |DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=cd00190 Tryp_SPc], [http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=cd01475 vWA_Matrilin]</span> | ||
| - | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2phb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2phb OCA], [http://www.ebi.ac.uk/pdbsum/2phb PDBsum | + | |RELATEDENTRY= |
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2phb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2phb OCA], [http://www.ebi.ac.uk/pdbsum/2phb PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2phb RCSB]</span> | ||
}} | }} | ||
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[[Category: fxa coagulation factor inhibitor]] | [[Category: fxa coagulation factor inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:35:52 2008'' |
Revision as of 01:35, 31 March 2008
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| , resolution 2.30Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | and | ||||||
| Ligands: | , | ||||||
| Gene: | F10 (Homo sapiens) | ||||||
| Activity: | Coagulation factor Xa, with EC number 3.4.21.6 | ||||||
| Domains: | Tryp_SPc, vWA_Matrilin | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
An Orally Efficacious Factor Xa Inhibitor
Contents |
Overview
Herein, we report the discovery of novel, proline-based factor Xa inhibitors containing a neutral P1 chlorophenyl pharmacophore. Through the additional incorporation of 1-(4-amino-3-fluoro-phenyl)-1H-pyridin-2-one 22, as a P4 pharmacophore, we discovered compound 7 (PD 0348292). This compound is a selective, orally bioavailable, efficacious FXa inhibitor that is currently in phase II clinical trials for the treatment and prevention of thrombotic disorders.
Disease
Known disease associated with this structure: Factor X deficiency OMIM:[227600]
About this Structure
2PHB is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarb oxamide (PD 0348292), an orally efficacious factor Xa inhibitor., Kohrt JT, Bigge CF, Bryant JW, Casimiro-Garcia A, Chi L, Cody WL, Dahring T, Dudley DA, Filipski KJ, Haarer S, Heemstra R, Janiczek N, Narasimhan L, McClanahan T, Peterson JT, Sahasrabudhe V, Schaum R, Van Huis CA, Welch KM, Zhang E, Leadley RJ, Edmunds JJ, Chem Biol Drug Des. 2007 Aug;70(2):100-12. PMID:17683371
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